Transient Absorption Imaging of P3HT:PCBM Photovoltaic Blend: Evidence For Interfacial Charge Transfer State

2011 ◽  
Vol 2 (9) ◽  
pp. 1099-1105 ◽  
Author(s):  
Giulia Grancini ◽  
Dario Polli ◽  
Daniele Fazzi ◽  
Juan Cabanillas-Gonzalez ◽  
Giulio Cerullo ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Transient Absorption ◽  
Charge Transfer State ◽  
Interfacial Charge Transfer ◽  
Absorption Imaging ◽  
Interfacial Charge ◽  
Transfer State

scholarly journals Do fluorescence and transient absorption probe the same intramolecular charge transfer state of 4-(dimethylamino)benzonitrile?

2009 ◽  
Vol 131 (3) ◽  
pp. 031101 ◽  
Author(s):  
Thomas Gustavsson ◽  
Pedro B. Coto ◽  
Luis Serrano-Andrés ◽  
Takashige Fujiwara ◽  
Edward C. Lim
Keyword(s):  
Charge Transfer ◽  
Transient Absorption ◽  
Intramolecular Charge Transfer ◽  
Charge Transfer State ◽  
Transfer State

scholarly journals Ultra-fast spin-mixing in a diketopyrrolopyrrole monomer/fullerene blend charge transfer state

2017 ◽  
Vol 5 (46) ◽  
pp. 24335-24343 ◽  
Author(s):  
Enrico Salvadori ◽  
Nathaniel Luke ◽  
Jordan Shaikh ◽  
Anastasia Leventis ◽  
Hugo Bronstein ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Epr Spectroscopy ◽  
Transient Absorption ◽  
Charge Transfer State ◽  
Time Resolved ◽  
Fast Spin ◽  
Transfer State

Transient absorption and time-resolved EPR spectroscopy show an ultra-fast spin-mixing CT state in a small diketopyrrolopyrrole-based molecule blended with fullerene.

scholarly journals Unravelling a long-lived ligand-to-metal cluster charge transfer state in Ce–TCPP metal organic frameworks

2020 ◽  
Vol 56 (90) ◽  
pp. 13971-13974
Author(s):  
Sizhuo Yang ◽  
Wenhui Hu ◽  
James Nyakuchena ◽  
Christian Fiankor ◽  
Cunming Liu ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Charge Separation ◽  
Transient Absorption ◽  
Metal Cluster ◽  
Metal Organic Frameworks ◽  
Charge Transfer State ◽  
X Ray ◽  
Metal Organic ◽  
Transfer State

We report the ultrafast charge separation dynamics in porphyrin-based Ce–TCPP MOFs using optical and X-ray transient absorption (XTA) spectroscopy.

scholarly journals Ultrafast Formation of the Charge-Transfer State of Prodan Reveals Unique Aspects of the Chromophore Environment

2019 ◽  
Author(s):  
Swapnil Baral ◽  
Matthew Phillips ◽  
Han Yan ◽  
Joseph Avenoso ◽  
Lars Gundlach ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Md Simulation ◽  
Transient Absorption ◽  
Structural Parameters ◽  
Bathochromic Shift ◽  
Local Environment ◽  
Spectral Shift ◽  
Charge Transfer State ◽  
Transfer State

<div>Lipiophilic dyes such as Laurdan and Prodan are widely used in membrane biology due to a strong bathochromic shift in emission that reports structural parameters of the membrane such as area per molecule. Disentangling the factors which control the spectral shift is complicated by the stabilization of a charge-transfer-like excitation of the dye in polar environments. Predicting the emission therefore requires modeling both the relaxation of the environment and the corresponding evolution of the excited state. Here an approach is presented in which (i) the local environment is sampled by classical molecular dynamics (MD) simulation of the dye and solvent; (ii) the electronically excited state of Prodan upon light absorption is predicted by numerical quantum mechanics (QM); (iii) iterative relaxation of the environment around the excited dye by MD coupled with evolution of the excited state is performed; (iv) the emission properties are predicted by QM. The QM steps are computed using many-body Green's functions theory in the GW approximation and the Bethe-Salpeter Equation with the environment modeled as fixed point charges, sampled in the MD simulation steps. Comparison to ultrafast time resolved transient absorption measurements demonstrates that the iterative MM/QM approach agrees quantitatively with both the polarity dependent shift in emission and the timescale over which the charge transfer state is stabilized. Together the simulations and experimental measurements suggest that evolution into the charge-transfer state is slower in amphiphilic solvents.</div>

scholarly journals Ultrafast Formation of the Charge-Transfer State of Prodan Reveals Unique Aspects of the Chromophore Environment

2019 ◽  
Author(s):  
Swapnil Baral ◽  
Matthew Phillips ◽  
Han Yan ◽  
Joseph Avenoso ◽  
Lars Gundlach ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Md Simulation ◽  
Transient Absorption ◽  
Structural Parameters ◽  
Bathochromic Shift ◽  
Local Environment ◽  
Spectral Shift ◽  
Charge Transfer State ◽  
Transfer State

<div>Lipiophilic dyes such as Laurdan and Prodan are widely used in membrane biology due to a strong bathochromic shift in emission that reports structural parameters of the membrane such as area per molecule. Disentangling the factors which control the spectral shift is complicated by the stabilization of a charge-transfer-like excitation of the dye in polar environments. Predicting the emission therefore requires modeling both the relaxation of the environment and the corresponding evolution of the excited state. Here an approach is presented in which (i) the local environment is sampled by classical molecular dynamics (MD) simulation of the dye and solvent; (ii) the electronically excited state of Prodan upon light absorption is predicted by numerical quantum mechanics (QM); (iii) iterative relaxation of the environment around the excited dye by MD coupled with evolution of the excited state is performed; (iv) the emission properties are predicted by QM. The QM steps are computed using many-body Green's functions theory in the GW approximation and the Bethe-Salpeter Equation with the environment modeled as fixed point charges, sampled in the MD simulation steps. Comparison to ultrafast time resolved transient absorption measurements demonstrates that the iterative MM/QM approach agrees quantitatively with both the polarity dependent shift in emission and the timescale over which the charge transfer state is stabilized. Together the simulations and experimental measurements suggest that evolution into the charge-transfer state is slower in amphiphilic solvents.</div>

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